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5-[[3-amino-4-(3-pyridinylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID Hp1kKbk1svs
InChI InChI=1S/C22H22N4O6S/c1-31-21(27)15-8-16(22(28)32-2)10-17(9-15)26-33(29,30)18-5-6-20(19(23)11-18)25-13-14-4-3-7-24-12-14/h3-12,25-26H,13,23H2,1-2H3
InChIKey XQXBQBIQPQXQQD-UHFFFAOYSA-N
Mol Weight 470.5 g/mol
Molecular Formula C22H22N4O6S
Exact Mass 470.126006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxlgDzM7UzI
Name 5-[[3-amino-4-(3-pyridinylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester
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Formula C22H22N4O6S
InChI InChI=1S/C22H22N4O6S/c1-31-21(27)15-8-16(22(28)32-2)10-17(9-15)26-33(29,30)18-5-6-20(19(23)11-18)25-13-14-4-3-7-24-12-14/h3-12,25-26H,13,23H2,1-2H3
InChIKey XQXBQBIQPQXQQD-UHFFFAOYSA-N
Molecular Weight 470.500 g/mol
SMILES N(c1ccc(cc1N)S(Nc1cc(C(=O)OC)cc(c1)C(=O)OC)(=O)=O)Cc1cnccc1
SPLASH splash10-0005-4930100000-de8d71fa8ddb47e2acf0
Synonyms 5-[[3-amino-4-(3-pyridylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[[3-amino-4-(3-pyridylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylate Dimethyl 5-[[3-amino-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylate Dimethyl 5-[[3-azanyl-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylate
Wiley ID 1454957